Crystallography Open Database

Information card for entry 7709560

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Coordinates	7709560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H11 Cr N6
Calculated formula	C18 H11 Cr N6
SMILES	[Cr]12([n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1)(C#N)(C#N)C#N
Title of publication	Heteroleptic mer-[Cr(N^N^N)(CN)3] complexes: synthetic challenge, structural characterization and photophysical properties.
Authors of publication	Chong, Julien; Besnard, Céline; Cruz, Carlos M.; Piguet, Claude; Jiménez, Juan Ramón
Journal of publication	Dalton Transactions
Year of publication	2022
a	9.0957 ± 0.0001 Å
b	13.146 ± 0.0002 Å
c	14.3005 ± 0.0002 Å
α	90°
β	107.079 ± 0.002°
γ	90°
Cell volume	1634.53 ± 0.04 Å³
Cell temperature	119.99 ± 0.14 K
Ambient diffraction temperature	119.99 ± 0.14 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0884
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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